Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 3/20 | 0.57 |
| ▸ | CES1 | P23141 | 3/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13679679 | 0.93 | HDAC8 (0.68) | HDAC8HDAC6CES2CES1HRH3 | |
| SCHEMBL5925786 | 0.84 | HRH3 (0.70) | HDAC8HDAC6HRH3 | |
| Water SCHEMBL9810829 | 0.82 | HRH3 (0.67) | HDAC8HDAC6HRH3 | |
| SCHEMBL28927060 | 0.81 | NPC1 (0.65) | HDAC8HDAC6BCHE | |
| SCHEMBL12763728 | 0.80 | HRH3 (0.62) | HDAC8HDAC6HRH3 | |
| SCHEMBL540981 | 0.79 | HRH3 (0.71) | HDAC8HDAC6HRH3ACHEBCHE | |
| SCHEMBL4289838 | 0.79 | HDAC8 (0.66) | HDAC8HDAC6HRH3ACHEMEP1B | |
| SCHEMBL28417303 | 0.79 | CES2 (0.70) | CES2CES1GSK3BSRD5A2 | |
| SCHEMBL7809399 | 0.78 | HDAC8 (0.64) | HDAC8HDAC6HRH3ACHEMEP1B | |
| Hydrochloric Acid SCHEMBL6297059 | 0.78 | HDAC8 (0.64) | HDAC8HDAC6HRH3ACHEMEP1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0999835-B1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | TAIJI BIOMEDICAL INC (US) | 2009-09-09 | — | — | EP | disclosed |
| EP-2082740-A2 | Use of imidazole derivatives as MDR modulators | Taiji Biomedical, Inc. (US) | 2009-07-29 | — | — | EP | disclosed |